a (2E)-enoylglutaryl-[acp] methyl ester

Properties Image MNX_ID MNXM727019 reference metacycM:Enoylglutaryl-ACP-methyl-esters formula C20H31N3O11PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CC(=O)OC)C([*])=O MNX internals InChI (mnx) InChI=1/C22H38N3O11PS/c1-15(26)16(23-4)13-35-37(32,33)36-14-22(2,3)20(30)21(31)25-10-9-17(27)24-11-12-38-19(29)8-6-7-18(28)34-5/h6,8,16,20,23,30H,7,9-14H2,1-5H3,(H,24,27)(H,25,31)(H,32,33)/b8-6+/t16-,20-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:15]([C@H:16]([CH2:13][O:35][P:37]([OH:32])(=[O:33])[O:36][CH2:14][C:22]([CH3:2])([CH3:3])[C@H:20]([C:21](=[N:25][CH2:10][CH2:9][C:17](=[N:24][CH2:11][CH2:12][S:38][C:19](/[CH:8]=[CH:6]/[CH2:7][C:18](=[O:28])[O:34][CH3:5])=[O:29])[OH:27])[OH:31])[OH:30])[NH:23][13CH3:4])=[O:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0